Geometry & MOs

Info

ID:	367192
PubChem CID:	127323960
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	8.04
Dipole, Da:	3.66
IP(EA), eV:	-9.48(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC3(CCC3)C4=CC=CC=C4

DOS

IR

Vibrations