Geometry & MOs

Info

ID:	446331
PubChem CID:	135274158
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-149.78
Dipole, Da:	3.8
IP(EA), eV:	-9.36(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4-oxo-6-pyridin-3-ylchromen-2-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CC[C@H](C1)C(=O)OC

DOS

IR

Vibrations