Geometry & MOs

Info

ID:	263712
PubChem CID:	103391927
Reduced:	OSN2C12H26 (1)
Stoich.:	ABC2D12E26 (1)
Weight, g/mol:	229.179027
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	4.19
IP(EA), eV:	-8.36(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-1-methoxypentan-2-yl)-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(S1)C)C(CCCN)COC

DOS

IR

Vibrations