Geometry & MOs

Info

ID:	244940
PubChem CID:	99431637
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-123.17
Dipole, Da:	7.49
IP(EA), eV:	-8.57(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3S)-1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@H]2CCCN(C2)C(=O)[C@@H](C)N3CCOCC3

DOS

IR

Vibrations