Geometry & MOs

Info

ID:	165641
PubChem CID:	74579863
Reduced:	N2O3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	362.223238
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	7.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777404
Charge, e:	1

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)[O-]

DOS

IR

Vibrations