Geometry & MOs

Info

ID:	151461
PubChem CID:	53812387
Reduced:	NO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	389.246713
ΔH_f, kcal/mol:	-147.93
Dipole, Da:	5.73
IP(EA), eV:	-10.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylamino)butan-2-yl]-1-(2-methylphenyl)isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(CCC(=O)O)C(=O)O

DOS

IR

Vibrations