Geometry & MOs

Info

ID:	434076
PubChem CID:	135174233
Reduced:	NO2C4H6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	410.02191
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	1.72
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[4-[(2-bromo-4-chlorophenyl)methylsulfanyl]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C)O1)C(C)OC(=O)OC

DOS

IR

Vibrations