Geometry & MOs

Info

ID:	330686
PubChem CID:	127248093
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	312.216141
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	4.6
IP(EA), eV:	-8.97(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(3-aminopropanoyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)CC2(CCN(C2)C(=O)C3=CC=CN3C)O

DOS

IR

Vibrations