Geometry & MOs

Info

ID:	140622
PubChem CID:	52731316
Reduced:	FIOSN2H10C16 (1)
Stoich.:	ABCDE2F10G16 (1)
Weight, g/mol:	302.153147
ΔH_f, kcal/mol:	21.59
Dipole, Da:	4.65
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(S2)C(=O)NC3=C(C=CC=N3)I)F

DOS

IR

Vibrations