Geometry & MOs

Info

ID:	363676
PubChem CID:	127313294
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	25.87
Dipole, Da:	8.75
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations