Geometry & MOs

Info

ID:	240601
PubChem CID:	93616692
Reduced:	ClO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	3.17
IP(EA), eV:	-8.39(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-ethynylphenyl)-2-methylmorpholine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C)Cl)C

DOS

IR

Vibrations