Geometry & MOs

Info

ID:	122222
PubChem CID:	50798193
Reduced:	ON4C29H30 (1)
Stoich.:	AB4C29D30 (1)
Weight, g/mol:	439.237211
ΔH_f, kcal/mol:	55.36
Dipole, Da:	3.77
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-9-(3-methylphenyl)-3-phenyl-N-propyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

DOS

IR

Vibrations