Geometry & MOs

Info

ID:	281052
PubChem CID:	103852608
Reduced:	ClO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	-110.71
Dipole, Da:	5.03
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCCCC1NC2=CN=C(C=C2)Cl

DOS

IR

Vibrations