Geometry & MOs

Info

ID:	249958
PubChem CID:	103093125
Reduced:	NF2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-84.0
Dipole, Da:	4.28
IP(EA), eV:	-9.15(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N,3-dimethyl-4-(2-propan-2-yloxyphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations