Geometry & MOs

Info

ID:	321413
PubChem CID:	126665974
Reduced:	F2O2N3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	635.271939
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	1.54
IP(EA), eV:	-9.71(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-[[2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]-2-hydroxy-2-phenylethyl]-N-cyclopropylcarbamate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C)CC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations