Geometry & MOs

Info

ID:	268531
PubChem CID:	103599811
Reduced:	BrOSN4C19H23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	446.219702
ΔH_f, kcal/mol:	36.18
Dipole, Da:	2.5
IP(EA), eV:	-8.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C2=CC=CC=N2)NC(=O)C=CC3=CC=C(S3)Br

DOS

IR

Vibrations