Geometry & MOs

Info

ID:	69213
PubChem CID:	46530462
Reduced:	BrON3C23H28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	490.211724
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	2.75
IP(EA), eV:	-9.2(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

DOS

IR

Vibrations