Geometry & MOs

Info

ID:	446317
PubChem CID:	135274023
Reduced:	O3N5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	467.175753
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	3.29
IP(EA), eV:	-8.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[5-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]-2-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCC(CC2)O)NC3=CC(=NC(=N3)C)N4CC5CC(C4)C5C(=O)O)C=N

DOS

IR

Vibrations