Geometry & MOs

Info

ID:	435433
PubChem CID:	135191463
Reduced:	N2O2C17H30 (1)
Stoich.:	A2B2C17D30 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	-124.07
Dipole, Da:	3.43
IP(EA), eV:	-9.67(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-amino-4-[amino-(piperidin-4-ylmethylamino)methylidene]pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCCCC(CCCC1)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations