Geometry & MOs

Info

ID:	334551
PubChem CID:	127253226
Reduced:	O2N3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	4.19
IP(EA), eV:	-8.31(0.38)
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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)N(C)C[C@@H]2CCCN3[C@@H]2CCCC3

DOS

IR

Vibrations