Geometry & MOs

Info

ID:	441765
PubChem CID:	135243867
Reduced:	NC3H5 (2)
Stoich.:	AB3C5 (2)
Weight, g/mol:	481.18305
ΔH_f, kcal/mol:	22.47
Dipole, Da:	1.08
IP(EA), eV:	-7.55(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

25-(3-cyclohexa-1,3-dien-5-yn-1-ylphenyl)-10-methyl-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8(13),10,11,15,17,19,21,23-dodecaene

Drug info:

PubChemData

Smile

C1CNC=CC=C1N

DOS

IR

Vibrations