Geometry & MOs

Info

ID:	334258
PubChem CID:	127252810
Reduced:	ClO4N5H18C21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	431.314792
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	3.84
IP(EA), eV:	-9.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-2-methylpropyl]urea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N[C@H](C(=O)N2)CC(=O)NCCC3=NC(=NO3)C4=CC=CC=C4Cl

DOS

IR

Vibrations