Geometry & MOs

Info

ID:	172051
PubChem CID:	75459822
Reduced:	NO7C29H29 (1)
Stoich.:	AB7C29D29 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-183.99
Dipole, Da:	2.88
IP(EA), eV:	-8.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)/C=C/C(=O)C3=CC4=C(C=C3)OCC(=O)N4)OCC

DOS

IR

Vibrations