Geometry & MOs

Info

ID:	126195
PubChem CID:	50955181
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	30.68
Dipole, Da:	2.11
IP(EA), eV:	-9.08(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethyloxan-4-yl)-N-ethyl-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide

Drug info:

PubChemData

Smile

CC1=C2C(=NC=N1)N(C=N2)C3=CC=CC(=C3)NC(=O)C(C)C

DOS

IR

Vibrations