Geometry & MOs

Info

ID:	249786
PubChem CID:	103092082
Reduced:	NF2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	2.62
IP(EA), eV:	-9.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-4-(3-nitrophenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations