Geometry & MOs

Info

ID:	277859
PubChem CID:	103831350
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-87.3
Dipole, Da:	3.23
IP(EA), eV:	-8.76(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(C)C(C)C1=CC=CC=C1OC)N

DOS

IR

Vibrations