Geometry & MOs

Info

ID:	34546
PubChem CID:	7978649
Reduced:	ClN2O3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-141.74
Dipole, Da:	2.66
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations