Geometry & MOs

Info

ID:	61236
PubChem CID:	26707254
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	20.45
Dipole, Da:	2.23
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-N-cyclopentylbenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations