Geometry & MOs

Info

ID:	358516
PubChem CID:	127296112
Reduced:	ON5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	2.44
IP(EA), eV:	-8.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylcarbamoyl)cyclohexyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CCNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations