Geometry & MOs

Info

ID:	60857
PubChem CID:	26702698
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	423.158292
ΔH_f, kcal/mol:	41.49
Dipole, Da:	6.75
IP(EA), eV:	-9.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CCCN2C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations