Geometry & MOs

Info

ID:	282045
PubChem CID:	103914740
Reduced:	NCl2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	7.68
Dipole, Da:	3.11
IP(EA), eV:	-9.25(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-2-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)Cl)Cl)NCC(=C)C

DOS

IR

Vibrations