Geometry & MOs

Info

ID:	258787
PubChem CID:	103157014
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	274.152872
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	0.85
IP(EA), eV:	-8.18(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NCC(CC2CCCC2)O

DOS

IR

Vibrations