Geometry & MOs

Info

ID:	234669
PubChem CID:	92303279
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-99.85
Dipole, Da:	4.89
IP(EA), eV:	-9.09(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations