Geometry & MOs

Info

ID:	178164
PubChem CID:	76287918
Reduced:	F2N3O3H25C26 (1)
Stoich.:	A2B3C3D25E26 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-150.23
Dipole, Da:	3.83
IP(EA), eV:	-8.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-methyl-1-oxo-1-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC2=CC3=C(C=C2)N(C(=O)C(N3CC4=C(C=CC=C4F)F)C)C

DOS

IR

Vibrations