Geometry & MOs

Info

ID:	186567
PubChem CID:	77446001
Reduced:	OS2N6H18C21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	130.32
Dipole, Da:	3.31
IP(EA), eV:	-8.48(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2C(C=C1)N=C(N2)SC3=CC=C(S3)C4=C5C=NNC5=NC6=C4C(=O)CNC6

DOS

IR

Vibrations