Geometry & MOs

Info

ID:	260772
PubChem CID:	103203237
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	233.189198
ΔH_f, kcal/mol:	17.49
Dipole, Da:	5.87
IP(EA), eV:	-8.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(4-methylhexan-2-ylamino)methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC(=C1)NCC2=CN(C(=C2)C#N)C

DOS

IR

Vibrations