Geometry & MOs

Info

ID:	157942
PubChem CID:	56459331
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	440.278741
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	5.32
IP(EA), eV:	-8.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C

DOS

IR

Vibrations