Geometry & MOs

Info

ID:	249976
PubChem CID:	103093238
Reduced:	NC17H21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	178.146999
ΔH_f, kcal/mol:	32.71
Dipole, Da:	1.36
IP(EA), eV:	-8.65(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-3-methyl-4-(1H-pyrrol-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC=CC2=CC=CC=C21)/C

DOS

IR

Vibrations