Geometry & MOs

Info

ID:	233125
PubChem CID:	87692436
Reduced:	ClO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	643.060207
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	4.18
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=CCOC(=O)N1CCC(CC1)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations