Geometry & MOs

Info

ID:	317742
PubChem CID:	126645611
Reduced:	ClNO2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	407.209658
ΔH_f, kcal/mol:	-104.76
Dipole, Da:	4.05
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(2,2-dimethyl-4-oxo-7-propan-2-yl-3H-chromen-5-yl)phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NO)CC3=CC(=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations