Geometry & MOs

Info

ID:	308146
PubChem CID:	125317148
Reduced:	Cl2N2H10C15 (1)
Stoich.:	A2B2C10D15 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	87.56
Dipole, Da:	3.53
IP(EA), eV:	-9.22(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9aS)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1C(=NN=C1C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3

DOS

IR

Vibrations