Geometry & MOs

Info

ID:	397523
PubChem CID:	135030338
Reduced:	ClO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	15.35
Dipole, Da:	5.25
IP(EA), eV:	-9.25(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[5-(hydroxymethyl)-1-oxo-3,4,5,6-tetrahydroazepino[4,3-b]indol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1C2=CC=CC=C2Cl)N3C=NC4=CC=CC=C43)C

DOS

IR

Vibrations