Geometry & MOs

Info

ID:	125442
PubChem CID:	50924281
Reduced:	F3N4O5C29H29 (1)
Stoich.:	A3B4C5D29E29 (1)
Weight, g/mol:	380.174945
ΔH_f, kcal/mol:	-205.72
Dipole, Da:	5.38
IP(EA), eV:	-9.7(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C1CCCN(C1)C[C@H](C2=CC=C(C=C2)C3=NOC(=N3)C4=C(C(=NO4)C5=CC=CC=C5)C(F)(F)F)O)C(=O)O

DOS

IR

Vibrations