Geometry & MOs

Info

ID:	67329
PubChem CID:	46506284
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	5.41
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

DOS

IR

Vibrations