Geometry & MOs

Info

ID:	308068
PubChem CID:	125316833
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	306.07712
ΔH_f, kcal/mol:	40.19
Dipole, Da:	2.2
IP(EA), eV:	-9.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9aS)-2-(2-chloroacetyl)-1-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=NN=C(C1)C2CC2)/C3=CC(=CC=C3)O

DOS

IR

Vibrations