Geometry & MOs

Info

ID:	170299
PubChem CID:	75215236
Reduced:	SN5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	154.6
Dipole, Da:	7.16
IP(EA), eV:	-9.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-diol

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(C)(CN3C=NC=N3)C4=CC=CC=C4

DOS

IR

Vibrations