Geometry & MOs

Info

ID:	156397
PubChem CID:	56370444
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	474.274324
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	6.8
IP(EA), eV:	-7.83(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=NN(C(=C3)C4CC4)C(C)(C)C

DOS

IR

Vibrations