Geometry & MOs

Info

ID:	433950
PubChem CID:	135174097
Reduced:	OSCl2N8C38H38 (1)
Stoich.:	ABC2D8E38F38 (1)
Weight, g/mol:	408.0604
ΔH_f, kcal/mol:	105.2
Dipole, Da:	6.47
IP(EA), eV:	-8.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-ylmethyl)-1-[4-[(2-bromo-4-chlorophenyl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CCCN(CC1=CN=C2C(=C1)C=CN=C2NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)Cl)CSO

DOS

IR

Vibrations