Geometry & MOs

Info

ID:	185260
PubChem CID:	77278039
Reduced:	ClO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	152.068767
ΔH_f, kcal/mol:	-31.76
Dipole, Da:	4.24
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=C(C=CC(=N1)C(CC2CCC(=O)N2)C3=CC=C(C=C3)Cl)C4CNNC4

DOS

IR

Vibrations