Geometry & MOs

Info

ID:	8462
PubChem CID:	77978
Reduced:	ClO2N5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	313.130553
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	8.73
IP(EA), eV:	-9.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-4-[4-(diaminomethylideneamino)butyl]benzamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCCN=C(N)N)C(=O)NC(=O)N.Cl

DOS

IR

Vibrations