Geometry & MOs

Info

ID:	157671
PubChem CID:	56436395
Reduced:	FOSN2C23H29 (1)
Stoich.:	ABCD2E23F29 (1)
Weight, g/mol:	411.180758
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	4.28
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)NCC3=CC=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations