Geometry & MOs

Info

ID:	68589
PubChem CID:	46508711
Reduced:	BrNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-85.48
Dipole, Da:	4.95
IP(EA), eV:	-8.67(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-methoxyphenoxy)propanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)OC2=CC=C(C=C2)OC)Br

DOS

IR

Vibrations