Geometry & MOs

Info

ID:	446338
PubChem CID:	135274195
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	-187.31
Dipole, Da:	3.84
IP(EA), eV:	-9.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4-oxo-8-prop-2-ynoxychromen-2-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=O)C2=C(O1)C(=CC=C2)O

DOS

IR

Vibrations