Geometry & MOs

Info

ID:	396741
PubChem CID:	135029120
Reduced:	NOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	333.233074
ΔH_f, kcal/mol:	10.95
Dipole, Da:	2.77
IP(EA), eV:	-8.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R)-1-[(2R)-2-methylpyrrolidin-1-ium-1-ylidene]propan-2-yl]-2-phenyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C[C@@H](C=O)C1C2=CC=CC=C2CCN1C3=CC=CC=C3

DOS

IR

Vibrations