Geometry & MOs

Info

ID:	267081
PubChem CID:	103580666
Reduced:	ClNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	-98.99
Dipole, Da:	1.69
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-ynyl-2-cyclopropyloxolan-3-amine

Drug info:

PubChemData

Smile

C1CC1C2C(CCO2)NCC(COC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations