Geometry & MOs

Info

ID:	34562
PubChem CID:	7978672
Reduced:	ClN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-109.97
Dipole, Da:	4.11
IP(EA), eV:	-8.93(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(adamantane-1-carbonyl)-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=C(C=CC=C2CC)CC)Cl

DOS

IR

Vibrations