Geometry & MOs

Info

ID:	34611
PubChem CID:	7978731
Reduced:	N2O2F3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	416.231122
ΔH_f, kcal/mol:	-235.16
Dipole, Da:	3.62
IP(EA), eV:	-9.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations