Geometry & MOs

Info

ID:	307620
PubChem CID:	125307779
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	9.49
Dipole, Da:	6.33
IP(EA), eV:	-9.0(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(9aS)-6-chloro-1,3,4,9a-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(=N2)C(=O)N/N=C\C3=CC=C(C=C3)OCC=C)C=C1

DOS

IR

Vibrations