Geometry & MOs

Info

ID:	80649
PubChem CID:	49835734
Reduced:	NPCl6O6H8C20 (1)
Stoich.:	ABC6D6E8F20 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-232.46
Dipole, Da:	4.99
IP(EA), eV:	-9.46(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1-methylindol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C3(C4=C(O2)C=C(C=C4Cl)OP(N)O)C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O3)Cl)O

DOS

IR

Vibrations