Geometry & MOs

Info

ID:	249861
PubChem CID:	103092554
Reduced:	NSC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	16.72
Dipole, Da:	1.16
IP(EA), eV:	-8.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-4-(4-pentoxyphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC=C(S1)C

DOS

IR

Vibrations