Geometry & MOs

Info

ID:	198490
PubChem CID:	79108018
Reduced:	BrN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-38.5
Dipole, Da:	5.78
IP(EA), eV:	-8.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylpyrrol-1-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(CNN2C(=CC=C2C)C)O)Br

DOS

IR

Vibrations