Geometry & MOs

Info

ID:	308518
PubChem CID:	125333355
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-19.93
Dipole, Da:	4.0
IP(EA), eV:	-9.46(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-(2-piperidin-1-ylethyl)-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C3C2=NCN(C3=O)CCCOC(C)C

DOS

IR

Vibrations