Geometry & MOs

Info

ID:	196535
PubChem CID:	78845629
Reduced:	O2F3N5C20H24 (1)
Stoich.:	A2B3C5D20E24 (1)
Weight, g/mol:	381.101082
ΔH_f, kcal/mol:	-209.74
Dipole, Da:	11.49
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[1-(3,4-dichlorophenyl)ethyl]-6-methyl-4-oxo-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C(C)(C)C)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations