Geometry & MOs

Info

ID:	188399
PubChem CID:	77711187
Reduced:	ClO3N6C22H27 (1)
Stoich.:	AB3C6D22E27 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-3.1
Dipole, Da:	5.22
IP(EA), eV:	-8.24(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[3.2.1]octan-3-yl)pyrido[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC#CCN1C2=C(NC(N(O2)CCC3=CC=CC=C3)Cl)N=C1N4CCCC(C4)NC(=O)O

DOS

IR

Vibrations