Geometry & MOs

Info

ID:	57656
PubChem CID:	22430272
Reduced:	N2O3C27H36 (1)
Stoich.:	A2B3C27D36 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-57.2
Dipole, Da:	2.5
IP(EA), eV:	-8.4(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-butoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)NC3CC2(OC4=C3C=C(C=C4C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations