Geometry & MOs

Info

ID:	342753
PubChem CID:	127265916
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	326.150954
ΔH_f, kcal/mol:	-19.39
Dipole, Da:	3.44
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-4-yl]-1,1-diethylurea

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C=CC2=C(C=NC=C2)C#N)OC

DOS

IR

Vibrations