Geometry & MOs

Info

ID:	24207
PubChem CID:	608432
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	25.63
Dipole, Da:	8.34
IP(EA), eV:	-8.39(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-nitroso-1-phenylethanone

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C(=C(C(=O)C3=CC=CC=C3)N=O)N1)C

DOS

IR

Vibrations