Geometry & MOs

Info

ID:	334521
PubChem CID:	127253196
Reduced:	N6O6C33H44 (1)
Stoich.:	A6B6C33D44 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	6.67
IP(EA), eV:	-8.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NNC(=N1)CC(C)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations