Geometry & MOs

Info

ID:	356514
PubChem CID:	127291661
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	4.67
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations