Geometry & MOs

Info

ID:	146394
PubChem CID:	53681322
Reduced:	BrN2O4C34H49 (1)
Stoich.:	AB2C4D34E49 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-206.04
Dipole, Da:	3.88
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hexoxymethyl)-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CCN(CC1=C(C(=CC(=C1)C(=O)OCCCCCOC(=O)C(C)C2=CC=C(C=C2)CC(C)C)Br)N)C3CCCCC3

DOS

IR

Vibrations