Geometry & MOs

Info

ID:	369164
PubChem CID:	127331465
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	4.42
IP(EA), eV:	-9.39(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations