Geometry & MOs

Info

ID:	402519
PubChem CID:	135056261
Reduced:	NOC23H33 (1)
Stoich.:	ABC23D33 (1)
Weight, g/mol:	207.066221
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	5.31
IP(EA), eV:	-7.81(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 4-chloro-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H]1C=C2C=C(CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C)N5CCCC5

DOS

IR

Vibrations