Geometry & MOs

Info

ID:	405798
PubChem CID:	135075460
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	234.140851
ΔH_f, kcal/mol:	-55.19
Dipole, Da:	5.72
IP(EA), eV:	-8.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butylphenanthrene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2[C@H](C1)C=C)Cl

DOS

IR

Vibrations