Geometry & MOs

Info

ID:	446334
PubChem CID:	135274177
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-190.44
Dipole, Da:	5.28
IP(EA), eV:	-9.51(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(7-ethynyl-4-oxochromen-2-yl)methyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations