Geometry & MOs

Info

ID:	294532
PubChem CID:	117467771
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	1.61
IP(EA), eV:	-8.19(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-aminoethyl)cyclopropyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2(CCCCC2)N)OC3CCCC3

DOS

IR

Vibrations