Geometry & MOs

Info

ID:	185155
PubChem CID:	77262722
Reduced:	N2O5C27H34 (1)
Stoich.:	A2B5C27D34 (1)
Weight, g/mol:	231.021769
ΔH_f, kcal/mol:	-141.91
Dipole, Da:	4.06
IP(EA), eV:	-8.13(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-chloro-4-(4-chlorophenyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(=O)NC(CN2CCCC2)C(C3=COC=C(O3)C4=CC=CCC4)O

DOS

IR

Vibrations