Geometry & MOs

Info

ID:	346928
PubChem CID:	127271432
Reduced:	O2N7C19H27 (1)
Stoich.:	A2B7C19D27 (1)
Weight, g/mol:	371.206973
ΔH_f, kcal/mol:	6.11
Dipole, Da:	6.78
IP(EA), eV:	-8.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)N3CCCC(C3)N4CCCC4)OC

DOS

IR

Vibrations