Geometry & MOs

Info

ID:	347116
PubChem CID:	127271620
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-66.79
Dipole, Da:	3.38
IP(EA), eV:	-9.06(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-carbamoylphenyl)ethyl]-4-(cyclohexylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CC2)CNC(=O)N3CCN(CC3)CC(=O)N4CCCCC4

DOS

IR

Vibrations