Geometry & MOs

Info

ID:	175494
PubChem CID:	75910730
Reduced:	O4N5C21H31 (1)
Stoich.:	A4B5C21D31 (1)
Weight, g/mol:	327.243639
ΔH_f, kcal/mol:	-153.5
Dipole, Da:	6.97
IP(EA), eV:	-9.94(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(cyclohexylmethyl)-1,4-diazepan-4-ium-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)CCN3C4CCCCC4C(=O)NC3=O

DOS

IR

Vibrations