Geometry & MOs

Info

ID:

443937

PubChem CID:

135260618

Reduced:

O2N8C29H30 (1)

Stoich.:

A2B8C29D30 (1)

Weight, g/mol:

572.228437

ΔHf, kcal/mol:

72.31

Dipole, Da:

10.6

IP(EA), eV:

 -9.03(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3-cyanophenyl)-6-[1-[[6-(cyclopropylmethoxymethyl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC(=N1)CN2C=C(N=N2)C3=CC(=NC(=C3)N)C4=CC=CC(=C4)C#N)N5CCC(CC5)C(=O)O

DOS

IR

Vibrations