Geometry & MOs

Info

ID:	222719
PubChem CID:	85332116
Reduced:	N3O5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	488.235888
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	1.27
IP(EA), eV:	-8.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,3-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-[1-(4,5-dihydro-1H-pyrazol-5-ylamino)-1,2-dioxoheptan-3-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C2CC(=NOC)CN2C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations