Geometry & MOs

Info

ID:	126215
PubChem CID:	50955601
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	50.48
Dipole, Da:	3.75
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC(=O)N)CN3CCCC3C4=NC(=NO4)C5=CC=NC=C5

DOS

IR

Vibrations