Geometry & MOs

Info

ID:	147574
PubChem CID:	53787230
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	189.100108
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	2.94
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=NC=C1)N)C(=O)CCCCCN

DOS

IR

Vibrations