Geometry & MOs

Info

ID:	82753
PubChem CID:	49856453
Reduced:	OF2N5H21C25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	-2.14
Dipole, Da:	7.44
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(F)F)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CN=CC(=C4)C#N

DOS

IR

Vibrations