Geometry & MOs

Info

ID:	132361
PubChem CID:	51348396
Reduced:	N5O6H29C31 (1)
Stoich.:	A5B6C29D31 (1)
Weight, g/mol:	315.277344
ΔH_f, kcal/mol:	-45.95
Dipole, Da:	3.72
IP(EA), eV:	-7.1(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dihydroxyhexadecan-2-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)CC(=O)ON5C(=O)CCC5=O)/C(=C/[N+]#N)/O

DOS

IR

Vibrations