Geometry & MOs

Info

ID:	258856
PubChem CID:	103157254
Reduced:	NOC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-103.11
Dipole, Da:	3.17
IP(EA), eV:	-8.99(2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)NCC(CC1CCCC1)O

DOS

IR

Vibrations