Geometry & MOs

Info

ID:	367259
PubChem CID:	127324036
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	1.88
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC2=CC=CC=C2C1NC(=O)N3CCNC(=O)CC3C4=CC=CC=C4

DOS

IR

Vibrations