Geometry & MOs

Info

ID:	157549
PubChem CID:	56435662
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-62.78
Dipole, Da:	6.32
IP(EA), eV:	-8.46(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,5-ditert-butylpyrazol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations