Geometry & MOs

Info

ID:	133261
PubChem CID:	51500004
Reduced:	N2O2C22H35 (1)
Stoich.:	A2B2C22D35 (1)
Weight, g/mol:	370.249452
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	4.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754898
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C[NH+]1CCC(CC1)C)NC(=O)C2(CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations