Geometry & MOs

Info

ID:	436719
PubChem CID:	135208065
Reduced:	N8H22C31 (1)
Stoich.:	A8B22C31 (1)
Weight, g/mol:	207.108171
ΔH_f, kcal/mol:	245.68
Dipole, Da:	4.15
IP(EA), eV:	-8.46(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-methyl-N-[(3Z)-penta-1,3-dien-2-yl]thiophen-2-amine

Drug info:

PubChemData

Smile

CN=C(/N=C\N=C)N1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=NC=NC=N6)C7=CC=CC=C71

DOS

IR

Vibrations