Geometry & MOs

Info

ID:	334966
PubChem CID:	127253772
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	417.299142
ΔH_f, kcal/mol:	-92.02
Dipole, Da:	7.73
IP(EA), eV:	-8.24(-0.69)
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]-3-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methylurea

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC(=C(C=C5)O)OC

DOS

IR

Vibrations