Geometry & MOs

Info

ID:	346038
PubChem CID:	127270526
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-117.41
Dipole, Da:	1.05
IP(EA), eV:	-9.4(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CC3CCC2C3

DOS

IR

Vibrations