Geometry & MOs

Info

ID:	71869
PubChem CID:	48415557
Reduced:	Cl2O2N3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-32.5
Dipole, Da:	3.66
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

DOS

IR

Vibrations