Geometry & MOs

Info

ID:	249821
PubChem CID:	103092297
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	206.178299
ΔH_f, kcal/mol:	16.18
Dipole, Da:	2.94
IP(EA), eV:	-8.19(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC2=C(C=C1)N(CCC2)C

DOS

IR

Vibrations