Geometry & MOs

Info

ID:	178037
PubChem CID:	76266998
Reduced:	N5O5C26H31 (1)
Stoich.:	A5B5C26D31 (1)
Weight, g/mol:	414.181567
ΔH_f, kcal/mol:	-116.46
Dipole, Da:	4.52
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C3=NOC(C3)C4=CC=CC=C4)N

DOS

IR

Vibrations