Geometry & MOs

Info

ID:	43822
PubChem CID:	10321836
Reduced:	O2C15H16 (2)
Stoich.:	A2B15C16 (2)
Weight, g/mol:	456.288912
ΔH_f, kcal/mol:	-134.23
Dipole, Da:	2.19
IP(EA), eV:	-9.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(1,3-diphenylpropan-2-yl)pyrrolidin-3-yl]-3-(2-methyl-6-propylpyridin-4-yl)urea

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC1)C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations