Geometry & MOs

Info

ID:	312685
PubChem CID:	126607338
Reduced:	N2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	417.177645
ΔH_f, kcal/mol:	43.62
Dipole, Da:	7.74
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NC(=C)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations