Geometry & MOs

Info

ID:	155103
PubChem CID:	56320689
Reduced:	ClOSN4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	22.85
Dipole, Da:	2.74
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC(=O)CC2=CSC(=N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations