Geometry & MOs

Info

ID:	44326
PubChem CID:	10502769
Reduced:	O3C29H34 (1)
Stoich.:	A3B29C34 (1)
Weight, g/mol:	430.273262
ΔH_f, kcal/mol:	-111.23
Dipole, Da:	3.91
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(6aR,9S,10aR)-2-tert-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-3-phenylurea

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)/C=C(/C)\C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations