Geometry & MOs

Info

ID:	417194
PubChem CID:	135091622
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-10.42
Dipole, Da:	3.54
IP(EA), eV:	-8.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(CC1=NN=CN1CCOC)CC(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations