Geometry & MOs

Info

ID:	82838
PubChem CID:	49856650
Reduced:	N5H23C24 (1)
Stoich.:	A5B23C24 (1)
Weight, g/mol:	377.140723
ΔH_f, kcal/mol:	170.52
Dipole, Da:	4.58
IP(EA), eV:	-8.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)phenyl]-2-(1,5-dimethylpyrazol-4-yl)-5-methylimidazol-4-amine

Drug info:

PubChemData

Smile

CC#CC1=CC(=CC=C1)C2=CC(=CC=C2)C3(N=C(C(=N3)N)C)C4=C(N(N=C4)C)C

DOS

IR

Vibrations