Geometry & MOs

Info

ID:	193680
PubChem CID:	78422879
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	309.113171
ΔH_f, kcal/mol:	-191.53
Dipole, Da:	15.77
IP(EA), eV:	-9.04(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-2-(cyclohexylazaniumyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C(C)C)C(=O)[O-])O

DOS

IR

Vibrations