Geometry & MOs

Info

ID:	268537
PubChem CID:	103599844
Reduced:	ClON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	375.171355
ΔH_f, kcal/mol:	50.53
Dipole, Da:	4.25
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-hydroxyphenyl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1CCNC(=O)C=CC3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations