Geometry & MOs

Info

ID:	352065
PubChem CID:	127283133
Reduced:	ClN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	2.9
IP(EA), eV:	-8.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)NC(=O)N2CCOC(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations