Geometry & MOs

Info

ID:	194329
PubChem CID:	78516699
Reduced:	O2N3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	336.089022
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	5.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752756
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1CN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations