Geometry & MOs

Info

ID:	349851
PubChem CID:	127276243
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	6.43
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations