Geometry & MOs

Info

ID:	426511
PubChem CID:	135144562
Reduced:	O3N5C24H37 (1)
Stoich.:	A3B5C24D37 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-128.95
Dipole, Da:	4.21
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(2,3-dihydroxybutyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CC3CC(C(CC3C2)O)O)N4CCN(CC4)C5CCCCC5

DOS

IR

Vibrations