Geometry & MOs

Info

ID:	241066
PubChem CID:	93621521
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	4.53
Dipole, Da:	4.16
IP(EA), eV:	-8.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)N[C@@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations