Geometry & MOs

Info

ID:	252453
PubChem CID:	103111476
Reduced:	BrO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	8.32
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[(3-phenylazetidin-1-yl)methyl]aniline

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C(=O)N(N=C1)CC=C)Br

DOS

IR

Vibrations