Geometry & MOs

Info

ID:	234662
PubChem CID:	92303265
Reduced:	ClO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	376.166604
ΔH_f, kcal/mol:	-55.3
Dipole, Da:	1.72
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)N(C[C@@H]1CCCO1)CC2=NC=CN2CC3=CC=CC=C3Cl

DOS

IR

Vibrations