Geometry & MOs

Info

ID:	34944
PubChem CID:	7979119
Reduced:	NSO6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	322.144806
ΔH_f, kcal/mol:	-205.38
Dipole, Da:	3.49
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N'-(4-cyclohexylbutanoyl)benzohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations