Geometry & MOs

Info

ID:	329475
PubChem CID:	126737235
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	231.121906
ΔH_f, kcal/mol:	-68.52
Dipole, Da:	2.93
IP(EA), eV:	-8.19(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(3S)-3-amino-4-hydroxy-3-methoxybutyl]-3-formamidoprop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C1C=CC(C(=C1)O)CC2=C(C=C(C=C2)N(CC)CC)O

DOS

IR

Vibrations