Geometry & MOs

Info

ID:	188031
PubChem CID:	77655787
Reduced:	F3N3O4C26H28 (1)
Stoich.:	A3B3C4D26E28 (1)
Weight, g/mol:	380.217203
ΔH_f, kcal/mol:	-268.92
Dipole, Da:	5.64
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)OC(=O)C(F)(F)F)O)NCCC2=CNC3=C2C=CC=C3C(=O)N4CCCC4

DOS

IR

Vibrations