Geometry & MOs

Info

ID:	178252
PubChem CID:	76304877
Reduced:	O2S2N5C20H25 (1)
Stoich.:	A2B2C5D20E25 (1)
Weight, g/mol:	485.300205
ΔH_f, kcal/mol:	-9.24
Dipole, Da:	7.71
IP(EA), eV:	-8.78(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-[4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbonyl]-7-propan-2-yl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)NC(=O)CSCC2=NC(=O)C3C4=C(CCC4)SC3=N2

DOS

IR

Vibrations