Geometry & MOs

Info

ID:	446333
PubChem CID:	135274175
Reduced:	N5O5C21H25 (1)
Stoich.:	A5B5C21D25 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-132.11
Dipole, Da:	3.27
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[6-(dimethylcarbamoyl)-4-oxochromen-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=O)C2=C(O1)C=CC(=C2)C3=CN(N=N3)CC(=O)N(C)C

DOS

IR

Vibrations