Geometry & MOs

Info

ID:	182477
PubChem CID:	76891892
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	4.97
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3,4-dihydroxyphenyl)-N-(4-hydroxycyclohexyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CC3=CC=CC=C3N2)Br

DOS

IR

Vibrations