Geometry & MOs

Info

ID:	442323
PubChem CID:	135251358
Reduced:	INPO2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	231.166397
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	2.7
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)(613C)hexanoylamino]propanoic acid

Drug info:

PubChemData

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C1[C@H]([C@H](CO1)NC2=CC=CC=C2)C3=CC=C(C=C3)OPI

DOS

IR

Vibrations