Geometry & MOs

Info

ID:	121297
PubChem CID:	50762084
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	412.226312
ΔH_f, kcal/mol:	-106.44
Dipole, Da:	4.57
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylethyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

CCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)NC3CCCC3

DOS

IR

Vibrations