Geometry & MOs

Info

ID:	44596
PubChem CID:	10504283
Reduced:	N5O7C21H29 (1)
Stoich.:	A5B7C21D29 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-237.93
Dipole, Da:	3.32
IP(EA), eV:	-9.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(4-methoxy-5-methylpyrido[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1[C@@H](C(=NO1)C2=CC=C(C=C2)C(=N)N)O)C(=O)OC

DOS

IR

Vibrations