Geometry & MOs

Info

ID:	407147
PubChem CID:	135079428
Reduced:	BrNO2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-57.89
Dipole, Da:	3.15
IP(EA), eV:	-9.29(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(dibenzylamino)-4-hydroxy-1-(1H-pyrrol-2-yl)butan-1-one

Drug info:

PubChemData

Smile

COC(=O)N(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3)Br

DOS

IR

Vibrations