Geometry & MOs

Info

ID:	430936
PubChem CID:	135171006
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	358.273262
ΔH_f, kcal/mol:	-2.29
Dipole, Da:	2.84
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-N-ethyl-3-ethylidene-N-[(1S,3R)-3-[[(2E)-2-(methylaminomethylidene)but-3-enyl]amino]cyclohexyl]-1,2-dihydropyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NN=C(O2)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations