Geometry & MOs

Info

ID:	421169
PubChem CID:	135115498
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	7.33
IP(EA), eV:	-8.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC(=O)NC4=C3C=C(C=C4)C)O

DOS

IR

Vibrations