Geometry & MOs

Info

ID:	426387
PubChem CID:	135143783
Reduced:	O2N3H21C28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	53.42
Dipole, Da:	8.46
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-(1-methylpyrazol-4-yl)-2-[(3R)-1-prop-2-enoylpiperidin-3-yl]oxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C3=CC4=C(C=C3)C=CN=C4)C(=O)NC5=CN=CC=C5

DOS

IR

Vibrations