Geometry & MOs

Info

ID:	34635
PubChem CID:	7978760
Reduced:	Cl2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-111.35
Dipole, Da:	2.83
IP(EA), eV:	-9.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-cyanobenzoyl)adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)N[C@@H](C)C2=CC(=CC=C2)Cl)Cl

DOS

IR

Vibrations