Geometry & MOs

Info

ID:	413251
PubChem CID:	135086198
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	3.73
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-phenyl-9-pyrimidin-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

COC(CNC(=O)C1=CC2=C(N1)C=CC(=C2)Br)OC

DOS

IR

Vibrations