Geometry & MOs

Info

ID:	243531
PubChem CID:	99226437
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	2.96
IP(EA), eV:	-9.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-2-oxochromen-4-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](C3=CC=CC=C3)C4=NC=CN4C

DOS

IR

Vibrations