Geometry & MOs

Info

ID:	367024
PubChem CID:	127322956
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-56.73
Dipole, Da:	6.4
IP(EA), eV:	-9.25(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3CC(=O)N(C3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations