Geometry & MOs

Info

ID:	348211
PubChem CID:	127273276
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-27.87
Dipole, Da:	6.22
IP(EA), eV:	-9.39(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-morpholin-4-ylethyl)-3-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=CC=NN2CC3CCOC3

DOS

IR

Vibrations