Geometry & MOs

Info

ID:	235498
PubChem CID:	92709840
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	7.84
Dipole, Da:	1.38
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C[C@H](C2=CC=CC(=C2)C)N3C=CC=C3

DOS

IR

Vibrations