Geometry & MOs

Info

ID:	56345
PubChem CID:	17425137
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	383.139368
ΔH_f, kcal/mol:	-49.97
Dipole, Da:	4.38
IP(EA), eV:	-9.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(3-fluoro-4-methoxyphenyl)-4,8-dioxa-12,14,16,18-tetrazatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,14,16-pentaen-15-amine

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC2=NOC(=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations