Geometry & MOs

Info

ID:	160767
PubChem CID:	57389721
Reduced:	OF2N7H21C22 (1)
Stoich.:	AB2C7D21E22 (1)
Weight, g/mol:	444.207388
ΔH_f, kcal/mol:	24.07
Dipole, Da:	2.49
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N(CCN3C=CC(=N3)C4=NC=C(C=C4)F)CCF

DOS

IR

Vibrations