Geometry & MOs

Info

ID:	266134
PubChem CID:	103558492
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	285.154035
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	2.14
IP(EA), eV:	-9.53(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(2,4-difluorophenyl)-1-(1-methoxycyclobutyl)butan-2-ol

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C(CN)C2=CC=CC=C2Br)O

DOS

IR

Vibrations