Geometry & MOs

Info

ID:	249737
PubChem CID:	103091698
Reduced:	NF2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	150.115698
ΔH_f, kcal/mol:	-72.82
Dipole, Da:	2.51
IP(EA), eV:	-9.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC(=C(C=C1)F)F)/C)N

DOS

IR

Vibrations