Geometry & MOs

Info

ID:	181725
PubChem CID:	76783369
Reduced:	BrN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	350.260966
ΔH_f, kcal/mol:	-118.29
Dipole, Da:	2.13
IP(EA), eV:	-8.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,13-dimethyl-16-prop-2-enyl-7-propyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=C(C=CC3=C2C=CC(=C3)Br)N

DOS

IR

Vibrations