Geometry & MOs

Info

ID:	348212
PubChem CID:	127273277
Reduced:	O3N5C15H25 (1)
Stoich.:	A3B5C15D25 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	5.44
IP(EA), eV:	-8.77(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

C1COCC1CN2C(=CC=N2)NC(=O)NCCN3CCOCC3

DOS

IR

Vibrations