Geometry & MOs

Info

ID:	334550
PubChem CID:	127253225
Reduced:	BrN3O5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	387.288577
ΔH_f, kcal/mol:	-127.99
Dipole, Da:	5.19
IP(EA), eV:	-9.14(-1.26)
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-(4-methoxyphenyl)-2-methylpropyl]-1-methylurea

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4=CC(=CN=C4)Br

DOS

IR

Vibrations