Geometry & MOs

Info

ID:	433930
PubChem CID:	135174077
Reduced:	FO2N6C16H19 (1)
Stoich.:	AB2C6D16E19 (1)
Weight, g/mol:	316.134241
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	5.68
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2NC1=O)N)NC3CC=C(C=C3F)C(=O)C

DOS

IR

Vibrations