Geometry & MOs

Info

ID:	375268
PubChem CID:	131485259
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	3.13
IP(EA), eV:	-9.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cycloheptyl-4-hydroxy-3-methylbutanenitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H](C2=C(C=CC(=C2)O)Br)N

DOS

IR

Vibrations