Geometry & MOs

Info

ID:	434389
PubChem CID:	135174822
Reduced:	ON2C17H34 (1)
Stoich.:	AB2C17D34 (1)
Weight, g/mol:	390.04984
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	1.74
IP(EA), eV:	-8.36(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(CC1)C2CCN(CC2)CCOC

DOS

IR

Vibrations