Geometry & MOs

Info

ID:	48318
PubChem CID:	10538866
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-28.09
Dipole, Da:	4.18
IP(EA), eV:	-8.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2-phenyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations