Geometry & MOs

Info

ID:	79187
PubChem CID:	49747295
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	2.84
IP(EA), eV:	-8.04(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3(CC3)C#N)C4=CC=CO4

DOS

IR

Vibrations