Geometry & MOs

Info

ID:	448821
PubChem CID:	135293811
Reduced:	ClNOC12H16 (2)
Stoich.:	ABCD12E16 (2)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	3.56
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[(2S)-pentan-2-yl]benzohydrazide

Drug info:

PubChemData

Smile

CCC[C@@H](C(C)(C)C)N([C@H](C1=CC(=CC(=C1)C)C)O)NC(=O)C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations