Geometry & MOs

Info

ID:	297803
PubChem CID:	117632026
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	3.16
IP(EA), eV:	-9.35(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

C1CN(CCC1COC2=CC=CC(=C2)CC(C#N)O)C(=O)O

DOS

IR

Vibrations