Geometry & MOs

Info

ID:	128221
PubChem CID:	51036113
Reduced:	FSO4N5C35H46 (1)
Stoich.:	ABC4D5E35F46 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-208.69
Dipole, Da:	10.79
IP(EA), eV:	-8.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-3-pyrimidin-4-ylbutanoate

Drug info:

PubChemData

Smile

CCC1(CC2=C(C3=C(N2S(=O)(=O)C1)C=C(C=C3)F)C4=CC(=C(C=C4)C(=O)N)NC5CCC(CC5)C(=O)NCCN6CCCC6)CC

DOS

IR

Vibrations