Geometry & MOs

Info

ID:	182526
PubChem CID:	76900860
Reduced:	ClF3O3N8C28H28 (1)
Stoich.:	AB3C3D8E28F28 (1)
Weight, g/mol:	362.160357
ΔH_f, kcal/mol:	-174.78
Dipole, Da:	2.16
IP(EA), eV:	-8.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC2=NN(C(=C2)C(F)(F)F)C)C3=C4C(=NC=C(N4C(=N3)[C@@H]5CC[C@H]6CCC(=O)N6C5)Cl)N

DOS

IR

Vibrations