Geometry & MOs

Info

ID:	28988
PubChem CID:	831018
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	5.78
IP(EA), eV:	-9.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-diethyl-2-[(4-methoxyphenyl)methylamino]-1-methylpyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCC1(C(=O)N=C(N(C1=O)C)NCC2=CC=CC=C2)CC

DOS

IR

Vibrations