Geometry & MOs

Info

ID:	423992
PubChem CID:	135120950
Reduced:	OF3N7C25H30 (1)
Stoich.:	AB3C7D25E30 (1)
Weight, g/mol:	426.191657
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	4.91
IP(EA), eV:	-8.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC=C(C=C2)CN3C=C(C(=N3)C(F)(F)F)C(=O)NCC4CCC5C(C4)CNN5

DOS

IR

Vibrations