Geometry & MOs

Info

ID:	294823
PubChem CID:	117498594
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	312.08373
ΔH_f, kcal/mol:	-35.55
Dipole, Da:	4.02
IP(EA), eV:	-8.59(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2CC(CN2C)CN)C)Br)O

DOS

IR

Vibrations