Geometry & MOs

Info

ID:	256537
PubChem CID:	103139761
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	235.133907
ΔH_f, kcal/mol:	89.07
Dipole, Da:	4.79
IP(EA), eV:	-9.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-methoxy-N-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(CC3=CC=C(C=C3)Br)NN

DOS

IR

Vibrations