Geometry & MOs

Info

ID:	204656
PubChem CID:	79994459
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-110.31
Dipole, Da:	2.87
IP(EA), eV:	-9.29(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-methylpiperidin-1-yl)-(5-nitro-1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(=O)NC2CCOCC2)N

DOS

IR

Vibrations