Geometry & MOs

Info

ID:	189044
PubChem CID:	77807875
Reduced:	BrClN4O6H14C15 (1)
Stoich.:	ABC4D6E14F15 (1)
Weight, g/mol:	387.288577
ΔH_f, kcal/mol:	-90.43
Dipole, Da:	10.29
IP(EA), eV:	-9.61(-3.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl)ethyl]-3-methylurea

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)CC2=CC(=C(C3=NC(=O)C(=O)N=C23)[N+](=O)[O-])Br.Cl

DOS

IR

Vibrations