Geometry & MOs

Info

ID:	196537
PubChem CID:	78845658
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	416.224597
ΔH_f, kcal/mol:	-108.23
Dipole, Da:	6.85
IP(EA), eV:	-8.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxo-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C(C)(C)C)C(=O)NCC(C2=CC=CC=C2OC)N3CCCC3

DOS

IR

Vibrations