Geometry & MOs

Info

ID:	145788
PubChem CID:	53592978
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	44.58
Dipole, Da:	5.87
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)N3CCC(CC3)NC4=NN=CC=C4

DOS

IR

Vibrations