Geometry & MOs

Info

ID:	433955
PubChem CID:	135174102
Reduced:	ON2C23H32 (1)
Stoich.:	AB2C23D32 (1)
Weight, g/mol:	400.11503
ΔH_f, kcal/mol:	-14.21
Dipole, Da:	2.98
IP(EA), eV:	-8.66(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-ylmethyl)-3-[2-bromo-5-[(E)-2-phenylethenyl]phenoxy]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCNCC3CCNC3

DOS

IR

Vibrations