Geometry & MOs

Info

ID:	83021
PubChem CID:	49857021
Reduced:	SN5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	80.86
Dipole, Da:	5.12
IP(EA), eV:	-8.98(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(4-methoxy-3,5-dimethylphenyl)-5-methylimidazol-4-amine

Drug info:

PubChemData

Smile

C1CC(CNC1)CNCC2=C3C(=NC=C2)N=C(N3)C4=CC=CS4

DOS

IR

Vibrations