Geometry & MOs

Info

ID:	320046
PubChem CID:	126658093
Reduced:	NC18H31 (1)
Stoich.:	AB18C31 (1)
Weight, g/mol:	300.168522
ΔH_f, kcal/mol:	-39.21
Dipole, Da:	1.6
IP(EA), eV:	-8.26(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[(2S)-2-[[hydroxy(methoxy)methyl]amino]-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCCC)C1=CC=C(C=C1)N

DOS

IR

Vibrations