Geometry & MOs

Info

ID:	199114
PubChem CID:	79200405
Reduced:	INO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-78.2
Dipole, Da:	6.38
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-(2-nitrophenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)I)NC(=O)CCC(C)O

DOS

IR

Vibrations