Geometry & MOs

Info

ID:	31899
PubChem CID:	3723181
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	3.08
IP(EA), eV:	-9.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(pyridin-4-ylmethyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione

Drug info:

PubChemData

Smile

CC12CCC3(C(C1CC=C2C#N)CC=C4C3(CCC(=O)C4)C)O

DOS

IR

Vibrations