Geometry & MOs

Info

ID:	177873
PubChem CID:	76247418
Reduced:	O2N3C11H14 (2)
Stoich.:	A2B3C11D14 (2)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-143.96
Dipole, Da:	9.07
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(3-phenylprop-2-enoylamino)propanoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Drug info:

PubChemData

Smile

CN1C2C(CCC(N2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)C(=O)N(C1=O)C

DOS

IR

Vibrations