Geometry & MOs

Info

ID:	414152
PubChem CID:	135087107
Reduced:	ClN2O3H25C29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	2.79
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-2-phenyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)N(C2=CC=CC=C2Cl)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations