Geometry & MOs

Info

ID:	17379
PubChem CID:	494718
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	2.32
IP(EA), eV:	-8.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(C(N1)C3=CC=CC=C3)NC4=CC=CC=C24

DOS

IR

Vibrations