Geometry & MOs

Info

ID:	278088
PubChem CID:	103833269
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	198.173213
ΔH_f, kcal/mol:	-98.15
Dipole, Da:	2.91
IP(EA), eV:	-9.45(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-methyl-N-[(1-methylcyclopropyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC1(CCC1)CNC(=O)C2CC(CN2)OC

DOS

IR

Vibrations