Geometry & MOs

Info

ID:	244280
PubChem CID:	99319665
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	3.72
IP(EA), eV:	-9.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)[C@H]3CCCCN3C(=O)C4=CC=CO4

DOS

IR

Vibrations