Geometry & MOs

Info

ID:	427261
PubChem CID:	135156514
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	353.190341
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	3.72
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-fluorophenyl)-4-[[1-(cyclopropylmethyl)azetidin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@H](CN1CC(C)(C)O)C)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

DOS

IR

Vibrations