Geometry & MOs

Info

ID:	145940
PubChem CID:	53615921
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	5.04
IP(EA), eV:	-8.35(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-quinolin-8-ylethanone

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)N(CC1CC1)CC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations