Geometry & MOs

Info

ID:	61520
PubChem CID:	26710175
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	367.108754
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	4.88
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations