Geometry & MOs

Info

ID:	334163
PubChem CID:	127252715
Reduced:	O5N7H19C21 (1)
Stoich.:	A5B7C19D21 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	2.63
IP(EA), eV:	-8.99(-1.1)
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-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylurea

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCC(=O)NC5=NNN=N5)OC

DOS

IR

Vibrations