Geometry & MOs

Info

ID:	358445
PubChem CID:	127296013
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	0.6
Dipole, Da:	3.39
IP(EA), eV:	-8.62(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=NN=C4N3CCC4

DOS

IR

Vibrations