Geometry & MOs

Info

ID:	336293
PubChem CID:	127255300
Reduced:	ClNF2O3H20C33 (1)
Stoich.:	ABC2D3E20F33 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	5.16
IP(EA), eV:	-8.95(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(4-pyrrol-1-yloxan-4-yl)acetyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC=CC=C7Cl)F

DOS

IR

Vibrations