Geometry & MOs

Info

ID:	371196
PubChem CID:	127344226
Reduced:	ON5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-40.19
Dipole, Da:	4.17
IP(EA), eV:	-8.51(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)CNC(=O)N2CCC(CC2)C3=CN(N=C3)CC

DOS

IR

Vibrations