Geometry & MOs

Info

ID:	256660
PubChem CID:	103140486
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	42.94
Dipole, Da:	2.08
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(5-nitroisoquinolin-8-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations