Geometry & MOs

Info

ID:	34584
PubChem CID:	7978696
Reduced:	ClN4O4C18H21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-135.71
Dipole, Da:	9.63
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N)Cl

DOS

IR

Vibrations