Geometry & MOs

Info

ID:	346775
PubChem CID:	127271279
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-80.14
Dipole, Da:	4.45
IP(EA), eV:	-9.63(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrrolidin-3-yl)-3-[1-(oxolan-2-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCCC2C3=CC=NC=C3

DOS

IR

Vibrations