Geometry & MOs

Info

ID:	362816
PubChem CID:	127309370
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	3.36
IP(EA), eV:	-8.83(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(CCO2)NC(=O)N3CCCC(C3)N4C=C(C=N4)C

DOS

IR

Vibrations