Geometry & MOs

Info

ID:	287911
PubChem CID:	104298499
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	8.61
Dipole, Da:	5.43
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)NC(=O)C2=CC(=C(C=C2)C#CCO)C

DOS

IR

Vibrations