Geometry & MOs

Info

ID:	180447
PubChem CID:	76634417
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	510.11542
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	6.52
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyrrol-2-yl]-2-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(CCCN)(C(=O)N)N(CC1=CC=C(C=C1)O)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations