Geometry & MOs

Info

ID:	277873
PubChem CID:	103831464
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-97.87
Dipole, Da:	4.69
IP(EA), eV:	-9.32(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCCC1C(=O)NC2CC2)N

DOS

IR

Vibrations