Geometry & MOs

Info

ID:	276369
PubChem CID:	103822684
Reduced:	N2O3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	7.09
IP(EA), eV:	-9.54(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-chloroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NC1CN(CCO)CCO

DOS

IR

Vibrations