Geometry & MOs

Info

ID:	244952
PubChem CID:	99431656
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	2.12
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3R)-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=CN=C(C=C3)N4CCCC4

DOS

IR

Vibrations