Geometry & MOs

Info

ID:	34623
PubChem CID:	7978746
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	390.09429
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	4.78
IP(EA), eV:	-8.91(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-bromophenyl)acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC5=CC=CC=C5OC4=O

DOS

IR

Vibrations