Geometry & MOs

Info

ID:	355739
PubChem CID:	127290038
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	-51.93
Dipole, Da:	2.22
IP(EA), eV:	-8.46(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CN4CCN5C=NN=C5C4

DOS

IR

Vibrations