Geometry & MOs

Info

ID:	249962
PubChem CID:	103093156
Reduced:	BrFNC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	5.09
IP(EA), eV:	-9.24(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC(=C(C=C1)F)Br)/C)NC

DOS

IR

Vibrations