Geometry & MOs

Info

ID:	234670
PubChem CID:	92303281
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-66.79
Dipole, Da:	3.89
IP(EA), eV:	-9.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea

Drug info:

PubChemData

Smile

CCCNC(=O)N(C[C@@H]1CCCO1)CC2=NC=CN2CC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations