Geometry & MOs

Info

ID:	186418
PubChem CID:	77429207
Reduced:	O2F3N6C21H23 (1)
Stoich.:	A2B3C6D21E23 (1)
Weight, g/mol:	448.183458
ΔH_f, kcal/mol:	-183.93
Dipole, Da:	2.55
IP(EA), eV:	-8.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[2-[3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethyl]amino]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CNC2=CC3=C(C=C2)NC(=O)N3C)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations