Geometry & MOs

Info

ID:	422991
PubChem CID:	135118739
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-163.91
Dipole, Da:	3.07
IP(EA), eV:	-9.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1(CC1)CCC(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations