Geometry & MOs

Info

ID:	70761
PubChem CID:	48413833
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-120.96
Dipole, Da:	4.73
IP(EA), eV:	-9.48(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCN2C(=O)C3(CCCCC3)NC2=O

DOS

IR

Vibrations