Geometry & MOs

Info

ID:	444378
PubChem CID:	135262224
Reduced:	N6O7C35H40 (1)
Stoich.:	A6B7C35D40 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-217.87
Dipole, Da:	2.71
IP(EA), eV:	-8.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(hydroxymethyl)-4-oxochromen-7-yl]oxy-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC(=O)OCC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)NCC(=O)OC(C)(C)C)C4=CC=CC=N4

DOS

IR

Vibrations