Geometry & MOs

Info

ID:	209829
PubChem CID:	80728085
Reduced:	SN2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	49.15
Dipole, Da:	1.4
IP(EA), eV:	-8.74(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-butyl-3-N-cyclopropyl-5-ethoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)CNC)CN(CC=C)CC=C

DOS

IR

Vibrations