Geometry & MOs

Info

ID:	34613
PubChem CID:	7978733
Reduced:	ClN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	358.144806
ΔH_f, kcal/mol:	-135.71
Dipole, Da:	6.27
IP(EA), eV:	-9.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC(=O)NC)Cl

DOS

IR

Vibrations