Geometry & MOs

Info

ID:	191421
PubChem CID:	78144867
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	414.230728
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	3.56
IP(EA), eV:	-7.98(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,4a-dimethyl-7-(quinolin-8-ylamino)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C=C1)NC(C3C2OCCC3)C4CCNCC4

DOS

IR

Vibrations