Geometry & MOs

Info

ID:	419402
PubChem CID:	135108121
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	4.36
IP(EA), eV:	-9.21(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]pyridin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)CC(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations