Geometry & MOs

Info

ID:	273939
PubChem CID:	103805949
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	4.06
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(aminomethyl)piperidin-1-yl]-2-propoxyethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)NC(=O)CC3)CN

DOS

IR

Vibrations