Geometry & MOs

Info

ID:	157569
PubChem CID:	56435749
Reduced:	O2S2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	414.193487
ΔH_f, kcal/mol:	0.38
Dipole, Da:	3.46
IP(EA), eV:	-8.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-(2,5-ditert-butylpyrazol-3-yl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CN=C(S3)C4=CC=CS4

DOS

IR

Vibrations