Geometry & MOs

Info

ID:	160815
PubChem CID:	57389860
Reduced:	FO6N7C27H34 (1)
Stoich.:	AB6C7D27E34 (1)
Weight, g/mol:	433.202637
ΔH_f, kcal/mol:	-242.93
Dipole, Da:	6.46
IP(EA), eV:	-9.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(5-fluoropyridin-2-yl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)NC(=O)C(=O)N(C)C)NC(=O)N(C)C)F

DOS

IR

Vibrations