Geometry & MOs

Info

ID:	270577
PubChem CID:	103637163
Reduced:	BrN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-71.21
Dipole, Da:	4.34
IP(EA), eV:	-8.83(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-2-hydroxyphenyl)methylamino]-N-cyclopropylbutanamide

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations