Geometry & MOs

Info

ID:	400012
PubChem CID:	135044486
Reduced:	BrON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	7.11
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methoxy-2-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)Br)NCC2=CC=CC=N2)C

DOS

IR

Vibrations