Geometry & MOs

Info

ID:	34610
PubChem CID:	7978730
Reduced:	ClN4O4C16H25 (1)
Stoich.:	AB4C4D16E25 (1)
Weight, g/mol:	380.171162
ΔH_f, kcal/mol:	-181.02
Dipole, Da:	4.15
IP(EA), eV:	-9.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[3-(trifluoromethyl)phenyl]acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations