Geometry & MOs

Info

ID:	34550
PubChem CID:	7978654
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	421.181313
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	6.5
IP(EA), eV:	-8.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-(difluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)Cl

DOS

IR

Vibrations