Geometry & MOs

Info

ID:	175438
PubChem CID:	75906005
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	421.1465
ΔH_f, kcal/mol:	-86.38
Dipole, Da:	3.93
IP(EA), eV:	-9.1(0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-oxo-1-thiophen-2-ylpropyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CNC(=O)NC3CCCCC3

DOS

IR

Vibrations