Geometry & MOs

Info

ID:

185474

PubChem CID:

77302684

Reduced:

O4N8C37H44 (1)

Stoich.:

A4B8C37D44 (1)

Weight, g/mol:

516.11609

ΔHf, kcal/mol:

-91.57

Dipole, Da:

5.39

IP(EA), eV:

 -8.37(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[(4-bromophenyl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]-2-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CNCCN1C2=NC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC

DOS

IR

Vibrations