Geometry & MOs

Info

ID:	82837
PubChem CID:	49856641
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	381.195346
ΔH_f, kcal/mol:	23.97
Dipole, Da:	5.06
IP(EA), eV:	-9.01(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,5-dimethylpyrazol-4-yl)-5-methyl-2-[3-(3-prop-1-ynylphenyl)phenyl]imidazol-4-amine

Drug info:

PubChemData

Smile

C1CC(CNC1)CNC(=O)C2=C3C=C(NC3=NC=C2)C4=CC=CS4

DOS

IR

Vibrations