Geometry & MOs

Info

ID:	287899
PubChem CID:	104297954
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	3.73
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-4-(4-hydroxybut-1-ynyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCNCC2C(=O)N)Br

DOS

IR

Vibrations