Geometry & MOs

Info

ID:	448952
PubChem CID:	135294698
Reduced:	BrSN2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	48.96
Dipole, Da:	0.61
IP(EA), eV:	-8.37(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SN2CCC(C3=C(C2)C=C(C=C3)Br)N

DOS

IR

Vibrations