Geometry & MOs

Info

ID:	151729
PubChem CID:	56269963
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	2.77
IP(EA), eV:	-7.91(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C=CC2=C1C=CC(=C2)NC(=O)C3CCCN3C(=O)CC4=CC=CS4

DOS

IR

Vibrations