Geometry & MOs

Info

ID:	143737
PubChem CID:	53253231
Reduced:	ON3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	24.1
Dipole, Da:	7.11
IP(EA), eV:	-8.32(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(E)-2-(6-methylpyridin-3-yl)ethenyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-15-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)/C=C/C2=C3C(=CC=C2)C4=C(N3)CC5CCC4N5C(=O)C

DOS

IR

Vibrations