Geometry & MOs

Info

ID:	438194
PubChem CID:	135227886
Reduced:	N6C23H26 (1)
Stoich.:	A6B23C26 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	142.99
Dipole, Da:	4.31
IP(EA), eV:	-8.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-2-methyl-1-[oxan-4-yl(phenyl)methyl]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)N)NC(C3=CC=CC=N3)/C(=C/C=C\C=C)/C

DOS

IR

Vibrations