Geometry & MOs

Info

ID:	34765
PubChem CID:	7978913
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-44.41
Dipole, Da:	2.14
IP(EA), eV:	-9.41(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyl)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)C4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations