Geometry & MOs

Info

ID:	256855
PubChem CID:	103141877
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-17.51
Dipole, Da:	12.17
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-dimethylbutan-2-yl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CCNC(=O)CCNC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations