Geometry & MOs

Info

ID:	365890
PubChem CID:	127319148
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-40.7
Dipole, Da:	5.73
IP(EA), eV:	-8.73(0.19)
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-(5-phenyl-2-propan-2-ylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)N1C(=CC(=N1)C2=CC=CC=C2)NC(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations