Geometry & MOs

Info

ID:	424199
PubChem CID:	135121725
Reduced:	O3N5H13C16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	483.22704
ΔH_f, kcal/mol:	98.47
Dipole, Da:	13.3
IP(EA), eV:	-9.51(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[4-[3-(benzotriazol-1-yl)propylamino]-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C=[N+](C=N3)[N-][N+](=O)[O-]

DOS

IR

Vibrations