Geometry & MOs

Info

ID:	36988
PubChem CID:	8015793
Reduced:	N2O4C23H27 (1)
Stoich.:	A2B4C23D27 (1)
Weight, g/mol:	402.145381
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	8.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752030
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[[1-(2-ethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC[NH+](C)C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

DOS

IR

Vibrations