Geometry & MOs

Info

ID:	160794
PubChem CID:	57389798
Reduced:	O3N7C23H23 (1)
Stoich.:	A3B7C23D23 (1)
Weight, g/mol:	445.202637
ΔH_f, kcal/mol:	12.75
Dipole, Da:	6.78
IP(EA), eV:	-8.66(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)N2CCNCC2)OC3=NC=C4C=CC5=C(C4=N3)N(N=C5C(=O)N)C

DOS

IR

Vibrations