Geometry & MOs

Info

ID:	334310
PubChem CID:	127252862
Reduced:	N2O7C24H26 (1)
Stoich.:	A2B7C24D26 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-210.65
Dipole, Da:	9.58
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)/C=C/C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations