Geometry & MOs

Info

ID:	327943
PubChem CID:	126691447
Reduced:	N7C20H21 (1)
Stoich.:	A7B20C21 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	126.64
Dipole, Da:	1.63
IP(EA), eV:	-8.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-10-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),4,7-triene

Drug info:

PubChemData

Smile

CC1=CN=C(C2=NC(NN12)CCC3=C(N4C=CC5=C(C4=N3)C=CC=N5)C)C

DOS

IR

Vibrations