Geometry & MOs

Info

ID:	371153
PubChem CID:	127342658
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-36.14
Dipole, Da:	6.47
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-oxo-2-(4-pyrrolidin-1-ylazepan-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)N2CC3C2CCC3

DOS

IR

Vibrations