Geometry & MOs

Info

ID:	244322
PubChem CID:	99343973
Reduced:	O4N5H15C17 (1)
Stoich.:	A4B5C15D17 (1)
Weight, g/mol:	447.06947
ΔH_f, kcal/mol:	18.21
Dipole, Da:	8.63
IP(EA), eV:	-8.87(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromophenyl)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CN(N=C2)CC3=CC=NC=C3

DOS

IR

Vibrations