Geometry & MOs

Info

ID:	272742
PubChem CID:	103753919
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	4.09
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations