Geometry & MOs

Info

ID:	34632
PubChem CID:	7978756
Reduced:	ClN4O5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	403.166269
ΔH_f, kcal/mol:	-101.67
Dipole, Da:	3.36
IP(EA), eV:	-9.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations