Geometry & MOs

Info

ID:	305492
PubChem CID:	124956819
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	293.164046
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	2.36
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-yl]benzimidazole

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)N(C)C[C@@]2(CCCN(C2)C3=NC=CN=C3)O

DOS

IR

Vibrations