Geometry & MOs

Info

ID:	277856
PubChem CID:	103831304
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	4.71
IP(EA), eV:	-9.06(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)NC(C)C)N

DOS

IR

Vibrations