Geometry & MOs

Info

ID:	268538
PubChem CID:	103599846
Reduced:	ClO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	375.171355
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	4.32
IP(EA), eV:	-8.83(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[3-(4-hydroxyphenyl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NCCCC2=CC=C(C=C2)O)Cl)CC(C)C

DOS

IR

Vibrations