Geometry & MOs

Info

ID:	361398
PubChem CID:	127303264
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	5.4
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C(=O)N2CCN3C(=NN=C3C4CC4)C2)C

DOS

IR

Vibrations