Geometry & MOs

Info

ID:	156203
PubChem CID:	56369516
Reduced:	N2O4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	394.08921
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	5.33
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC(=C1)NC(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations