Geometry & MOs

Info

ID:	234603
PubChem CID:	92303151
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-9.28
Dipole, Da:	5.49
IP(EA), eV:	-8.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(4-butoxyphenyl)-5-methyl-N-(2-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)[C@@H]2C(=C(N=C3N2NC=N3)C)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations