Geometry & MOs

Info

ID:	255576
PubChem CID:	103133111
Reduced:	BrNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	357.09396
ΔH_f, kcal/mol:	-94.26
Dipole, Da:	2.63
IP(EA), eV:	-8.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)Br)CNC(C)(C)C

DOS

IR

Vibrations