Geometry & MOs

Info

ID:	138695
PubChem CID:	52411093
Reduced:	NO7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	387.154269
ΔH_f, kcal/mol:	-252.44
Dipole, Da:	2.15
IP(EA), eV:	-9.18(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CCCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations