Geometry & MOs

Info

ID:	274426
PubChem CID:	103809257
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	7.31
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)cyclopentyl]-(3-methoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)[C@H]2CCCCN2)[N+](=O)[O-]

DOS

IR

Vibrations