Geometry & MOs

Info

ID:	34633
PubChem CID:	7978757
Reduced:	ClN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	403.166269
ΔH_f, kcal/mol:	-123.53
Dipole, Da:	3.63
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCNC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations