Geometry & MOs

Info

ID:	374979
PubChem CID:	131408384
Reduced:	ON5C7H7 (1)
Stoich.:	AB5C7D7 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	94.18
Dipole, Da:	5.79
IP(EA), eV:	-9.35(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(2-methylpropanoyl)-1H-pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=NC1=C2C(=NNN2)C=O

DOS

IR

Vibrations