Geometry & MOs

Info

ID:	126752
PubChem CID:	50976747
Reduced:	ClO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	359.209658
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	2.53
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CC=NC=C2)NC(=O)C3=C(C=CC(=C3)NC(=O)C)Cl

DOS

IR

Vibrations