Geometry & MOs

Info

ID:	64756
PubChem CID:	29203954
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-126.87
Dipole, Da:	5.02
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-nitro-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C(C)C)NC(=O)/C=C/C1=CC=C(C=C1)OC

DOS

IR

Vibrations