Geometry & MOs

Info

ID:	321344
PubChem CID:	126665843
Reduced:	F3O4N5H28C29 (1)
Stoich.:	A3B4C5D28E29 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-230.54
Dipole, Da:	7.16
IP(EA), eV:	-9.44(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(cyclopropylmethoxy)phenyl]methyl]aniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=CN=CC=C4)O

DOS

IR

Vibrations