Geometry & MOs

Info

ID:	145924
PubChem CID:	53613481
Reduced:	SO2N5C15H29 (1)
Stoich.:	AB2C5D15E29 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	-67.49
Dipole, Da:	6.52
IP(EA), eV:	-9.07(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)pyridin-4-yl]-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCCN2CCCS(=O)(=O)N(C)C

DOS

IR

Vibrations