Geometry & MOs

Info

ID:	233860
PubChem CID:	92098549
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	418.175339
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	7.21
IP(EA), eV:	-10.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-(4-oxoquinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCC(CC2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations