Geometry & MOs

Info

ID:	190016
PubChem CID:	77942367
Reduced:	BrO2N3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	210.104465
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	7.12
IP(EA), eV:	-8.9(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3,4-dihydrophenanthren-4-ol

Drug info:

PubChemData

Smile

CC(C)(CC1CCN(CC1)C(=O)C2CC(NN2)C3=CC=C(C=C3)Br)O

DOS

IR

Vibrations