Geometry & MOs

Info

ID:	176939
PubChem CID:	76114885
Reduced:	BrN2O8C21H31 (1)
Stoich.:	AB2C8D21E31 (1)
Weight, g/mol:	358.28718
ΔH_f, kcal/mol:	-354.83
Dipole, Da:	6.1
IP(EA), eV:	-9.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-1-yl)methyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2C(OC(C2OC3CCCCO3)N4CC(C(=O)NC4=O)C=CBr)CO

DOS

IR

Vibrations