Geometry & MOs

Info

ID:	258717
PubChem CID:	103156559
Reduced:	BrNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-92.96
Dipole, Da:	2.32
IP(EA), eV:	-9.12(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)Br)OCC(CC2CCCC2)O)N

DOS

IR

Vibrations