Geometry & MOs

Info

ID:	308397
PubChem CID:	125326873
Reduced:	ClN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	404.183503
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	6.08
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1([C@@H]2C(=C3C=CC=CC3=N2)C[C@@H](N1C(=O)CCl)C(=O)OC)C

DOS

IR

Vibrations