Geometry & MOs

Info

ID:	260758
PubChem CID:	103202931
Reduced:	FON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	277.132746
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	5.39
IP(EA), eV:	-8.26(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[4-(1H-pyrazol-5-yl)anilino]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)F)NCC2=CN(C(=C2)C#N)C

DOS

IR

Vibrations