Geometry & MOs

Info

ID:	260767
PubChem CID:	103203075
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	215.117095
ΔH_f, kcal/mol:	33.37
Dipole, Da:	6.04
IP(EA), eV:	-8.75(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(1H-pyrazol-4-ylmethylamino)methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC)NCC2=CN(C(=C2)C#N)C

DOS

IR

Vibrations