Geometry & MOs

Info

ID:	287679
PubChem CID:	104251631
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	183.162314
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	3.52
IP(EA), eV:	-8.37(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-(oxan-2-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)C(CC2CCCCO2)N

DOS

IR

Vibrations