Geometry & MOs

Info

ID:	399155
PubChem CID:	135038338
Reduced:	ClN2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	250.135765
ΔH_f, kcal/mol:	62.83
Dipole, Da:	4.66
IP(EA), eV:	-7.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=N2)Cl)C

DOS

IR

Vibrations