Geometry & MOs

Info

ID:	273862
PubChem CID:	103805469
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	372.06986
ΔH_f, kcal/mol:	-107.53
Dipole, Da:	1.36
IP(EA), eV:	-9.38(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-aminoethyl)piperidin-1-yl]-(2-iodo-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C1CCCCN1C(=O)[C@H]2CCC(=O)N2)N

DOS

IR

Vibrations