Geometry & MOs

Info

ID:	133262
PubChem CID:	51500202
Reduced:	O2N3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-31.95
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.143084
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[3-[[(3S)-3-propoxypiperidin-1-yl]methyl]indol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCO[C@H]1CCC[NH+](C1)CC2=CN(C3=CC=CC=C32)CC(=O)NC4CC4

DOS

IR

Vibrations