Geometry & MOs

Info

ID:	249723
PubChem CID:	103091610
Reduced:	ClN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	192.162649
ΔH_f, kcal/mol:	59.56
Dipole, Da:	1.81
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C(=N2)Cl)/C=C/C(C)N)C

DOS

IR

Vibrations