Geometry & MOs

Info

ID:	122201
PubChem CID:	50797876
Reduced:	FON5C28H30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	502.24811
ΔH_f, kcal/mol:	15.53
Dipole, Da:	3.68
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1CN(C(C3=CC=CN32)C4=CC=C(C=C4)F)C(=O)NCCC(C)C)C5=CC=CC=C5

DOS

IR

Vibrations