Geometry & MOs

Info

ID:	233859
PubChem CID:	92098548
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	14.6
Dipole, Da:	4.46
IP(EA), eV:	-8.53(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CC2=CNC3=CC=CC=C32)OC4=NC=CN=C4C#N

DOS

IR

Vibrations