Geometry & MOs

Info

ID:	226285
PubChem CID:	87350371
Reduced:	OSN2H20C21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	33.48
Dipole, Da:	6.6
IP(EA), eV:	-8.76(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-4-hydroxy-2,6-dimethylhepta-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

CC1=CCC(=S)C(=C1)CC(=O)NC2=CC=C(C=C2)C3=CC(=NC=C3)C

DOS

IR

Vibrations