Geometry & MOs

Info

ID:	235499
PubChem CID:	92709843
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-98.49
Dipole, Da:	2.82
IP(EA), eV:	-8.8(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3R)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H](C2=CC=CC(=C2)C)N3C=CC=C3

DOS

IR

Vibrations