Geometry & MOs

Info

ID:	272464
PubChem CID:	103743557
Reduced:	NOF3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	-199.73
Dipole, Da:	3.76
IP(EA), eV:	-9.35(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-nitrophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations