Geometry & MOs

Info

ID:	378848
PubChem CID:	134224949
Reduced:	FN4O4C14H15 (1)
Stoich.:	AB4C4D14E15 (1)
Weight, g/mol:	347.239519
ΔH_f, kcal/mol:	-149.05
Dipole, Da:	5.59
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3Z,5Z)-2-(2,3-dimethylhexan-3-ylsulfanyl)hepta-3,5-dien-3-yl]-4,6-dimethyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CCNC1=C(C(=O)N(C(=O)N1)O)C(=O)N(C)C2=CC(=CC=C2)F

DOS

IR

Vibrations