Geometry & MOs

Info

ID:	258596
PubChem CID:	103155523
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	232.178693
ΔH_f, kcal/mol:	-19.73
Dipole, Da:	4.44
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NCC1=NN=C2N1C=CC=C2)CN

DOS

IR

Vibrations