Geometry & MOs

Info

ID:	194260
PubChem CID:	78504654
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	399.08735
ΔH_f, kcal/mol:	-121.21
Dipole, Da:	5.79
IP(EA), eV:	-8.22(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)COC(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3

DOS

IR

Vibrations