Geometry & MOs

Info

ID:	245629
PubChem CID:	99455653
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	3.01
IP(EA), eV:	-8.99(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

DOS

IR

Vibrations