Geometry & MOs

Info

ID:	417506
PubChem CID:	135096357
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	15.41
Dipole, Da:	3.77
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=N2)C)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations