Geometry & MOs

Info

ID:	407148
PubChem CID:	135079429
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-9.77
Dipole, Da:	3.02
IP(EA), eV:	-9.06(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)[C@H](CC(=O)C3=CC=CN3)CO

DOS

IR

Vibrations