Geometry & MOs

Info

ID:	268388
PubChem CID:	103599221
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	45.47
Dipole, Da:	4.6
IP(EA), eV:	-8.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(1-methylimidazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN(C)C(=O)C=CC2=CN(N=C2C3=CC=C(O3)C)C4=CC=CC=C4

DOS

IR

Vibrations