Geometry & MOs

Info

ID:	266400
PubChem CID:	103564781
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	3.74
IP(EA), eV:	-8.55(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-bromoanilino)-3-propan-2-ylcyclobutyl]methanol

Drug info:

PubChemData

Smile

CC1CC(C1)(CO)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations