Geometry & MOs

Info

ID:	426019
PubChem CID:	135134899
Reduced:	ClN7C23H26 (1)
Stoich.:	AB7C23D26 (1)
Weight, g/mol:	349.109423
ΔH_f, kcal/mol:	112.0
Dipole, Da:	1.87
IP(EA), eV:	-8.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-chlorophenyl)-13-cyclopropyl-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),2,6,8,10,12-hexaene

Drug info:

PubChemData

Smile

CC1CN(CC(N1C)C)C2=NC=C3C(=C2)N=C4C(=C(NN4)C)N=C3C5=CC=CC=C5Cl

DOS

IR

Vibrations