Geometry & MOs

Info

ID:	253257
PubChem CID:	103117181
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	255.067762
ΔH_f, kcal/mol:	-90.99
Dipole, Da:	4.09
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazole-3-carbonyl)thiomorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCCC(=O)O)NC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations