Geometry & MOs

Info

ID:	190998
PubChem CID:	78092679
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	380.164854
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	1.17
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopropanecarbonyl)-7-(4-fluorophenyl)-3,6,9,11-tetrazatetracyclo[7.6.0.03,7.010,14]pentadeca-12,14-dien-2-one

Drug info:

PubChemData

Smile

CCCCC#CC1=NC(=C2C(=N1)N(C(=N2)C3=COC=C3)C4C(C(CO4)O)O)N

DOS

IR

Vibrations