Geometry & MOs

Info

ID:	244951
PubChem CID:	99431655
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-70.27
Dipole, Da:	5.53
IP(EA), eV:	-8.7(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@H]2CCCN(C2)C(=O)C3(CCCCC3)C#N

DOS

IR

Vibrations