Geometry & MOs

Info

ID:	35422
PubChem CID:	7979835
Reduced:	ClN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-89.71
Dipole, Da:	2.66
IP(EA), eV:	-9.86(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethoxy-N'-[(3R)-3-phenylbutanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations