Geometry & MOs

Info

ID:	234665
PubChem CID:	92303271
Reduced:	ClO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	404.197904
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	4.98
IP(EA), eV:	-9.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations