Geometry & MOs

Info

ID:	76013
PubChem CID:	48424301
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	-60.69
Dipole, Da:	7.07
IP(EA), eV:	-10.1(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclopropylmethoxy)propanoyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)[N+](=O)[O-])OCC2CC2

DOS

IR

Vibrations