Geometry & MOs

Info

ID:	232545
PubChem CID:	87576394
Reduced:	ClO2N6C22H27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	334.052735
ΔH_f, kcal/mol:	-0.48
Dipole, Da:	5.34
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)acetaldehyde

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1C)CN2CC(C3=C2N=C(N=C3Cl)N)CO)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations