Geometry & MOs

Info

ID:	277838
PubChem CID:	103831172
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	-94.21
Dipole, Da:	5.01
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(cyclopropylmethyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1=CC=C(C=C1)NC(=O)C)N

DOS

IR

Vibrations