Geometry & MOs

Info

ID:	74193
PubChem CID:	48421570
Reduced:	ClN3O5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	7.46
IP(EA), eV:	-9.64(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[(4-methyl-2-oxochromen-7-yl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations