Geometry & MOs

Info

ID:	259055
PubChem CID:	103158107
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	231.183444
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	1.53
IP(EA), eV:	-9.02(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptyl 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C)NCC(CC2CCCC2)O

DOS

IR

Vibrations