Geometry & MOs

Info

ID:	200156
PubChem CID:	79355658
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	9.7
Dipole, Da:	3.15
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-butyl-4-methylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=C1[N+](=O)[O-])CC2=NC(=CC=C2)NN

DOS

IR

Vibrations