Geometry & MOs

Info

ID:	189945
PubChem CID:	77929461
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	311.224915
ΔH_f, kcal/mol:	-97.28
Dipole, Da:	4.49
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl)-[4-(2-methylpentoxy)phenyl]methanamine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations