Geometry & MOs

Info

ID:	144584
PubChem CID:	53386954
Reduced:	ClNOH18C21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	66.0
Dipole, Da:	6.08
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,6aR,10aR)-2-methoxy-6,8,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCCCCN2C3=CC=CC=C3C(=C2Cl)C=O

DOS

IR

Vibrations