Geometry & MOs

Info

ID:	234601
PubChem CID:	92303144
Reduced:	SO3N4C21H30 (1)
Stoich.:	AB3C4D21E30 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	5.4
IP(EA), eV:	-9.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3C[C@@H](C[C@H](C3)C)C)C

DOS

IR

Vibrations