Geometry & MOs

Info

ID:	145672
PubChem CID:	53569546
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	77.1
Dipole, Da:	5.38
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CC1N2C=NC3=C2CCN(C3)CC4=NC(=NO4)C5=COC=C5

DOS

IR

Vibrations