Geometry & MOs

Info

ID:	432815
PubChem CID:	135172952
Reduced:	N5C20H23 (1)
Stoich.:	A5B20C23 (1)
Weight, g/mol:	407.160692
ΔH_f, kcal/mol:	84.84
Dipole, Da:	3.48
IP(EA), eV:	-7.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-methyl-2-[3-methylidene-5-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazol-4-yl]-1-pyrimidin-5-ylethenamine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1NNC3=CC4=C5C(=C3)CCCN5CCC4

DOS

IR

Vibrations