Geometry & MOs

Info

ID:	145900
PubChem CID:	53609081
Reduced:	ON7C17H27 (1)
Stoich.:	AB7C17D27 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	17.25
Dipole, Da:	8.33
IP(EA), eV:	-8.78(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethoxy-4-methylbenzoyl)amino]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCCC(C2)CN3C(=NC(=N3)C)C)C

DOS

IR

Vibrations