Geometry & MOs

Info

ID:	140137
PubChem CID:	52652949
Reduced:	FNOH4C6 (3)
Stoich.:	ABCD4E6 (3)
Weight, g/mol:	432.205395
ΔH_f, kcal/mol:	-196.19
Dipole, Da:	4.07
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NC3=CC(=CNC3=O)C(F)(F)F

DOS

IR

Vibrations