Geometry & MOs

Info

ID:	175147
PubChem CID:	75861539
Reduced:	N3O4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	357.217818
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	5.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.826497
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-(2,3-dihydro-1H-inden-1-yl)-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C(=O)OC)NCC2=CC(=O)[NH+]3C=CC=CC3=N2

DOS

IR

Vibrations