Geometry & MOs

Info

ID:	164239
PubChem CID:	74382514
Reduced:	O9N11C40H69 (1)
Stoich.:	A9B11C40D69 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-449.77
Dipole, Da:	16.09
IP(EA), eV:	-9.01(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-7-methoxy-N-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)N

DOS

IR

Vibrations