Geometry & MOs

Info

ID:	249931
PubChem CID:	103092957
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	3.45
Dipole, Da:	3.42
IP(EA), eV:	-8.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC2=CC=CC=C2O1)/C)NC

DOS

IR

Vibrations