Geometry & MOs

Info

ID:	358493
PubChem CID:	127296089
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	364.283826
ΔH_f, kcal/mol:	-135.6
Dipole, Da:	5.89
IP(EA), eV:	-8.75(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclohexylamino)-3-oxopropyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3COCCO3

DOS

IR

Vibrations