Geometry & MOs

Info

ID:	357330
PubChem CID:	127293963
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	-61.73
Dipole, Da:	9.24
IP(EA), eV:	-8.67(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC(=C2)N3CCC(CC3)N4CCNC4=O)CO

DOS

IR

Vibrations