Geometry & MOs

Info

ID:	193200
PubChem CID:	78356034
Reduced:	OSN3C14H15 (2)
Stoich.:	ABC3D14E15 (2)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	50.02
Dipole, Da:	6.29
IP(EA), eV:	-8.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3NC4C(CNN4C5=CC=C(C=C5)C)C(=O)N3)C6=CC=CS6

DOS

IR

Vibrations