Geometry & MOs

Info

ID:	234685
PubChem CID:	92303306
Reduced:	Cl2O2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	392.202382
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	4.31
IP(EA), eV:	-9.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propylurea

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=NC=CN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)C4CC4

DOS

IR

Vibrations