Geometry & MOs

Info

ID:	426514
PubChem CID:	135144573
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-109.41
Dipole, Da:	2.37
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(2,3-dihydroxypropyl)piperidin-4-yl]oxyphenyl]-(3-phenylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CC3CC(C(CC3C2)O)O)N4CCNCC4

DOS

IR

Vibrations