Geometry & MOs

Info

ID:	358121
PubChem CID:	127295666
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	5.04
IP(EA), eV:	-8.76(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations