Geometry & MOs

Info

ID:	256851
PubChem CID:	103141861
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	60.38
Dipole, Da:	9.21
IP(EA), eV:	-9.08(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitroisoquinolin-8-yl)amino]ethyl carbamate

Drug info:

PubChemData

Smile

CN1CCN(CC1)NC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations