Geometry & MOs

Info

ID:	380514
PubChem CID:	134970983
Reduced:	FNOC26H28 (1)
Stoich.:	ABCD26E28 (1)
Weight, g/mol:	313.09819
ΔH_f, kcal/mol:	-9.74
Dipole, Da:	1.93
IP(EA), eV:	-8.64(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(10-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,12,14,16-hexaen-5-yl)-N-methylformamide

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=CC=C1)/C2=CC(=C(C=C2)OCCN(C)C)F)/C3=CC=CC=C3

DOS

IR

Vibrations