Geometry & MOs

Info

ID:	196813
PubChem CID:	78881313
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-95.33
Dipole, Da:	6.18
IP(EA), eV:	-9.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2(CCCCC2)C(=O)N

DOS

IR

Vibrations