Geometry & MOs

Info

ID:	83152
PubChem CID:	49857215
Reduced:	O2N4C31H34 (1)
Stoich.:	A2B4C31D34 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	11.88
Dipole, Da:	9.57
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations