Geometry & MOs

Info

ID:	180574
PubChem CID:	76654312
Reduced:	F2O4N5C18H23 (1)
Stoich.:	A2B4C5D18E23 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-254.08
Dipole, Da:	3.55
IP(EA), eV:	-10.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-3-[6-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-8aH-pyrido[2,3-b]pyrazin-3-yl]urea

Drug info:

PubChemData

Smile

CC(CC(C(=O)NC1(CC1)C#N)NC(=O)N2CCC3(CC2)CC(=O)NC3=O)(F)F

DOS

IR

Vibrations