Geometry & MOs

Info

ID:	422587
PubChem CID:	135118089
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	7.04
IP(EA), eV:	-9.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)OC

DOS

IR

Vibrations