Geometry & MOs

Info

ID:	422118
PubChem CID:	135117238
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	372.207388
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	2.43
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations