Geometry & MOs

Info

ID:	185306
PubChem CID:	77284160
Reduced:	N4C7H11 (2)
Stoich.:	A4B7C11 (2)
Weight, g/mol:	448.193549
ΔH_f, kcal/mol:	76.76
Dipole, Da:	6.87
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-[2-(2,3-difluorophenyl)imidazol-1-yl]-7-ethyl-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene

Drug info:

PubChemData

Smile

CCC1C2=NN=CN2C3=CN=C(N=C3N1C(C)C)NCCN

DOS

IR

Vibrations