Geometry & MOs

Info

ID:	249986
PubChem CID:	103093312
Reduced:	NF2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	223.112777
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	2.58
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-chlorophenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations