Geometry & MOs

Info

ID:	387468
PubChem CID:	134985492
Reduced:	BrNPC28H29 (1)
Stoich.:	ABCD28E29 (1)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	64.04
Dipole, Da:	5.3
IP(EA), eV:	-8.5(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(2-chloropropan-2-yl)-3-phenylmethoxy-1-propan-2-ylazetidine

Drug info:

PubChemData

Smile

CC(C)(C)N(C1=CC=CC=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations