Geometry & MOs

Info

ID:	174657
PubChem CID:	75802423
Reduced:	F2N3O3C25H32 (1)
Stoich.:	A2B3C3D25E32 (1)
Weight, g/mol:	384.184265
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	3.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777904
Charge, e:	1

Chem-info

IUPAC name:

4-[(3-chlorophenyl)methylamino]-1-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[NH+]1CC(CC1C(=O)NCCC2=CC3=C(C=C2)OCO3)NCC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations