Geometry & MOs

Info

ID:	307677
PubChem CID:	125308013
Reduced:	NO2F3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-176.13
Dipole, Da:	3.07
IP(EA), eV:	-9.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-2-[(4aR)-4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl]-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-3-cyclohexylpropanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)N=C[C@@H]2C=O

DOS

IR

Vibrations