Geometry & MOs

Info

ID:	378781
PubChem CID:	134224880
Reduced:	INC20H22 (1)
Stoich.:	ABC20D22 (1)
Weight, g/mol:	396.245316
ΔH_f, kcal/mol:	80.31
Dipole, Da:	3.59
IP(EA), eV:	-8.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-tert-butyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]phenanthrene

Drug info:

PubChemData

Smile

CCC(C)/C(=C\C=C)/N(C1=CC=CC=C1)C2=CC=C(C=C2)I

DOS

IR

Vibrations