Geometry & MOs

Info

ID:	250004
PubChem CID:	103093442
Reduced:	NOBr2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	197.177964
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	3.94
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=C(C(=CC(=C1)Br)Br)OCC)/C

DOS

IR

Vibrations