Geometry & MOs

Info

ID:	128717
PubChem CID:	51055204
Reduced:	SiO7C46H58 (1)
Stoich.:	AB7C46D58 (1)
Weight, g/mol:	209.087435
ΔH_f, kcal/mol:	-207.32
Dipole, Da:	3.38
IP(EA), eV:	-9.16(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C[C@@]12CCC3=C([C@@]14[C@H](C[C@@]2(C4=C)[C@@H]5C[C@H]5COCC6=CC=CC=C6)OCOCC7=CC=CC=C7)CC(=O)[C@H]8[C@@]9([C@@H]3O[Si](C)(C)C)C=C([C@@H](C8(C)C)O9)OC

DOS

IR

Vibrations