Geometry & MOs

Info

ID:	16483
PubChem CID:	470675
Reduced:	ClON6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	408.146537
ΔH_f, kcal/mol:	49.03
Dipole, Da:	3.67
IP(EA), eV:	-8.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-[(3-aminoanilino)methyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=N2)Cl)N(C(=O)C3=C1N=CC(=C3)CNC4=CC=CC(=C4)N)C

DOS

IR

Vibrations