Geometry & MOs

Info

ID:	262409
PubChem CID:	103291661
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	269.154642
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	4.53
IP(EA), eV:	-8.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-methoxyphenyl)methyl]heptan-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=C(C=CC=C2Cl)OC)N

DOS

IR

Vibrations