Geometry & MOs

Info

ID:	297223
PubChem CID:	117613532
Reduced:	O2F3N3C19H22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	308.200097
ΔH_f, kcal/mol:	-198.05
Dipole, Da:	3.73
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7-dimethyl-9-(2-piperazin-1-ylethyl)pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(N2CCN(CCO)CCO)C(=NC=C3)C(F)(F)F

DOS

IR

Vibrations