Geometry & MOs

Info

ID:	84812
PubChem CID:	49870059
Reduced:	FO2N5C27H34 (1)
Stoich.:	AB2C5D27E34 (1)
Weight, g/mol:	461.279075
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	5.26
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC(CNC(=O)C3=C(N(C(=N3)C)C4=CC=C(C=C4)F)C)O)C

DOS

IR

Vibrations