Geometry & MOs

Info

ID:	34620
PubChem CID:	7978743
Reduced:	ClN4O5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	10.53
IP(EA), eV:	-9.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations