Geometry & MOs

Info

ID:	256800
PubChem CID:	103141480
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	286.052447
ΔH_f, kcal/mol:	45.99
Dipole, Da:	2.89
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(1,3-thiazol-2-ylmethyl)isoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1(CCCC1)C(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations