Geometry & MOs

Info

ID:	362599
PubChem CID:	127308370
Reduced:	ON2C11H19 (2)
Stoich.:	AB2C11D19 (2)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	-108.5
Dipole, Da:	4.78
IP(EA), eV:	-8.86(0.69)
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-(2,5-ditert-butylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)N2CCC(CC2)OC3CCCC3)C(C)(C)C

DOS

IR

Vibrations