Geometry & MOs

Info

ID:	32200
PubChem CID:	6435873
Reduced:	NCl2O2C28H47 (1)
Stoich.:	AB2C2D28E47 (1)
Weight, g/mol:	1030.567999
ΔH_f, kcal/mol:	-141.91
Dipole, Da:	2.63
IP(EA), eV:	-8.59(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)acetic acid;(9Z,12Z)-N,N-dimethyloctadeca-9,12-dien-1-amine;(Z)-N,N-dimethyloctadec-9-en-1-amine

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCN(C)C.CC(=O)OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations