Geometry & MOs

Info

ID:	203975
PubChem CID:	79895431
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	355.06055
ΔH_f, kcal/mol:	-89.02
Dipole, Da:	2.66
IP(EA), eV:	-9.29(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine

Drug info:

PubChemData

Smile

C1COC2(CCOC2)CC1NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations